[5,5-dimethyl-3-oxidanylidene-2-[(Z)-N-prop-2-enoxy-C-propyl-carbonimidoyl]cyclohexen-1-yl] benzoate

Systemtic Name: [5,5-dimethyl-3-oxidanylidene-2-[(Z)-N-prop-2-enoxy-C-propyl-carbonimidoyl]cyclohexen-1-yl] benzoate Openeye Name: [2-[(Z)-N-allyloxy-C-propyl-carbonimidoyl]-5,5-dimethyl-3-oxo-cyclohexen-1-yl] benzoate CAS Name: benzoic acid [5,5-dimethyl-3-oxo-2-[(1Z)-1-prop-2-enoxyiminobutyl]-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-3-oxo-2-[(Z)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexen-1-yl] benzoate Traditional Name: benzoic acid [2-[(Z)-N-allyloxy-C-propyl-carbonimidoyl]-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOCC=C)C1=C(CC(CC1=O)(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC/C(=N/OCC=C)/C1=C(CC(CC1=O)(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO4/c1-5-10-17(23-26-13-6-2)20-18(24)14-22(3,4)15-19(20)27-21(25)16-11-8-7-9-12-16/h6-9,11-12H,2,5,10,13-15H2,1,3-4H3/b23-17-